SCHEMBL1341622

SCHEMBL1341622

C=CCCCN1CCN(C(=O)OC(C)(C)C)C(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.37
MGLL Q99685 2/20 0.34
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
SETD7 Q8WTS6 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1341886 0.93 FAAH (0.35) FAAHMGLLSETD7
SCHEMBL1341565 0.93 FAAH (0.35) FAAHMGLLSETD7
SCHEMBL1343824 0.93 FAAH (0.35) FAAHMGLLSETD7
SCHEMBL1568443 0.85 SETD7 (0.35) TPSAB1TPSD1TPSG1SETD7
SCHEMBL1568438 0.85 SETD7 (0.35) TPSAB1TPSD1TPSG1SETD7
SCHEMBL1344593 0.84 SETD7 (0.35) SETD7
SCHEMBL1342098 0.84 SETD7 (0.35) SETD7
SCHEMBL1343297 0.84 SETD7 (0.35) SETD7
SCHEMBL1343852 0.82 CHRM2 (0.37) SETD7
SCHEMBL1343786 0.81 HRH3 (0.36)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 FAAH 2254/4885MGLL 3903/4885TPSAB1 1857/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.